chloro 2-[ethoxycarbonyl(methyl)amino]benzoate

C11H12ClNO4 — CID 174373388

IUPACchloro 2-[ethoxycarbonyl(methyl)amino]benzoate
SMILESCCOC(=O)N(C)c1ccccc1C(=O)OCl
InChIInChI=1S/C11H12ClNO4/c1-3-16-11(15)13(2)9-7-5-4-6-8(9)10(14)17-12/h4-7H,3H2,1-2H3
InChIKeyIBSDFLDOTYTHLN-UHFFFAOYSA-N
MW257.67 g/mol
LogP2.59
Rot. Bonds3

About chloro 2-[ethoxycarbonyl(methyl)amino]benzoate

chloro 2-[ethoxycarbonyl(methyl)amino]benzoate (PubChem CID 174373388) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is chloro 2-[ethoxycarbonyl(methyl)amino]benzoate.

Molecular Properties

Compound Namechloro 2-[ethoxycarbonyl(methyl)amino]benzoate
PubChem CID174373388
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Namechloro 2-[ethoxycarbonyl(methyl)amino]benzoate
SMILESCCOC(=O)N(C)c1ccccc1C(=O)OCl
InChIInChI=1S/C11H12ClNO4/c1-3-16-11(15)13(2)9-7-5-4-6-8(9)10(14)17-12/h4-7H,3H2,1-2H3
InChIKeyIBSDFLDOTYTHLN-UHFFFAOYSA-N
XLogP2.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(2-carbamoylphenyl)-N-methylcarbamate
CID 174425529
ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate
CID 66870694
azane;ethyl 2-(dimethylamino)benzoate
CID 70426390
2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]benzoic acid
CID 61170982
ethyl 2-(dipropoxyamino)benzoate
CID 140996498
methyl 2-[methyl-(2-methylsulfanylacetyl)amino]benzoate
CID 43423111
[2-(1-adamantyl)-2-oxoethyl] 2-[methoxycarbonyl(methyl)amino]benzoate
CID 47818876
ethyl 2-[propan-2-yl(trifluoromethyl)amino]benzoate
CID 71635482
ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 113180526
[2-[[ethoxycarbonyl(methyl)amino]methoxy]benzoyl] 2-[[ethoxycarbonyl(methyl)amino]methoxy]benzenecarboperoxoate
CID 53245275
propyl N-methyl-N-naphthalen-1-ylcarbamate
CID 71338053
ethyl 2-(1,1,2,2,2-pentafluoroethyl)benzoate
CID 53392900

Frequently Asked Questions

What is the IUPAC name of chloro 2-[ethoxycarbonyl(methyl)amino]benzoate?
The IUPAC name of chloro 2-[ethoxycarbonyl(methyl)amino]benzoate (CID 174373388) is chloro 2-[ethoxycarbonyl(methyl)amino]benzoate.
What is the SMILES notation for chloro 2-[ethoxycarbonyl(methyl)amino]benzoate?
The canonical SMILES for chloro 2-[ethoxycarbonyl(methyl)amino]benzoate is CCOC(=O)N(C)c1ccccc1C(=O)OCl.
What is the InChIKey of chloro 2-[ethoxycarbonyl(methyl)amino]benzoate?
The InChIKey is IBSDFLDOTYTHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-3-16-11(15)13(2)9-7-5-4-6-8(9)10(14)17-12/h4-7H,3H2,1-2H3.
What are the key properties of chloro 2-[ethoxycarbonyl(methyl)amino]benzoate?
chloro 2-[ethoxycarbonyl(methyl)amino]benzoate has a molecular weight of 257.67 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-[ethoxycarbonyl(methyl)amino]benzoate is sourced from PubChem (CID 174373388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).